CID 3022568

2,6-dicyclohexyl-5-isopropyl-m-cresol

Structural Information

Molecular Formula
C22H34O
SMILES
CC1=CC(=C(C(=C1C2CCCCC2)O)C3CCCCC3)C(C)C
InChI
InChI=1S/C22H34O/c1-15(2)19-14-16(3)20(17-10-6-4-7-11-17)22(23)21(19)18-12-8-5-9-13-18/h14-15,17-18,23H,4-13H2,1-3H3
InChIKey
LAGFOZUICLZQFM-UHFFFAOYSA-N
Compound name
2,6-dicyclohexyl-3-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.26096 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.26824 180.9
[M+Na]+ 337.25018 182.1
[M-H]- 313.25368 187.2
[M+NH4]+ 332.29478 194.4
[M+K]+ 353.22412 177.2
[M+H-H2O]+ 297.25822 172.4
[M+HCOO]- 359.25916 192.8
[M+CH3COO]- 373.27481 209.0
[M+Na-2H]- 335.23563 176.5
[M]+ 314.26041 171.9
[M]- 314.26151 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe